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2670 Commits

Author SHA1 Message Date
Atsushi Togo ff95c4dd2e
Merge pull request #420 from phonopy/refactor 
Merge CUI for pypolymlp to phonopy
 2025-07-29 16:22:34 +09:00
Atsushi Togo 3ec495f05a Merge CUI for pypolymlp to phonopy 2025-07-29 16:11:59 +09:00
Atsushi Togo de2e6d3025
Merge pull request #419 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-07-29 09:21:58 +09:00
pre-commit-ci[bot] 2195be17f9
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.4 → v0.12.5](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.4...v0.12.5)
 2025-07-28 20:57:00 +00:00
Atsushi Togo 499ba37b43 Update document on pypolymlp 2025-07-26 14:59:11 +09:00
Atsushi Togo 5e254fa516 Update document on pypolymlp 2025-07-26 14:52:32 +09:00
Atsushi Togo 8e7bc01229 Merge branch 'develop' 2025-07-22 16:15:29 +09:00
Atsushi Togo a12bb6becd
Merge pull request #418 from phonopy/release 
Release v3.18.0
 2025-07-22 16:06:34 +09:00
Atsushi Togo 21d4d86698 Avoid redundant calculation of fc2 2025-07-22 15:57:20 +09:00
Atsushi Togo b7a71c2883 Minor fix for reading polymlp.yaml 2025-07-22 15:34:55 +09:00
Atsushi Togo 006e63d799 Minor fix for reading polymlp.yaml 2025-07-22 15:18:40 +09:00
Atsushi Togo 5a14780e6b Set version 3.18.0 2025-07-22 15:13:54 +09:00
Atsushi Togo e736838528 Merge branch 'develop' of github.com:phonopy/phono3py into develop 2025-07-22 15:12:07 +09:00
Atsushi Togo 4181111479 Prevent phono3py-kaccum from reading POSCAR 2025-07-22 15:11:57 +09:00
Atsushi Togo baf34031eb
Merge pull request #416 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-07-22 14:23:52 +09:00
pre-commit-ci[bot] 69d6fcec75
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.3 → v0.12.4](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.3...v0.12.4)
 2025-07-21 21:04:31 +00:00
Atsushi Togo 9ddbbbfa56 Very minor update 2025-07-21 17:21:47 +09:00
Atsushi Togo 12dc119f56 Update phonopy version dependency 2025-07-21 12:05:13 +09:00
Atsushi Togo e26f3ecbbd
Merge pull request #415 from phonopy/relax 
Implement relaxation using pypolymlp in CUI
 2025-07-20 19:28:08 +09:00
Atsushi Togo 3564186adc Implement relaxation using pypolymlp in CUI 2025-07-20 18:42:07 +09:00
Atsushi Togo cbcf9e84e5
Merge pull request #414 from phonopy/refactor 
Refactoring
 2025-07-19 19:15:26 +09:00
Atsushi Togo 9eb09dd01e Minor refactoring 2025-07-19 18:25:13 +09:00
Atsushi Togo 7dc202dde7 Further refactoring 2025-07-19 18:19:29 +09:00
Atsushi Togo dd9f626bb8 Set __all__ for imports in __init__.py 2025-07-19 17:22:08 +09:00
Atsushi Togo 630d09f174 Add from __future__ import annotations 2025-07-19 17:17:05 +09:00
Atsushi Togo 8d9e72c130 Minor typehint update 2025-07-19 17:13:30 +09:00
Atsushi Togo 096269a8b6 Refactoring 2025-07-19 17:11:28 +09:00
Atsushi Togo 35dd083b3a
Merge pull request #413 from phonopy/refactoring 
Refactoring and adding typehints
 2025-07-18 15:02:04 +09:00
Atsushi Togo 6eceedc3bb Add from __future__ import annotations 2025-07-18 14:53:37 +09:00
Atsushi Togo d67c4d81db Add from __future__ import annotations 2025-07-18 14:48:36 +09:00
Atsushi Togo 818ea508c8 Refactoring and adding typehints 2025-07-18 14:44:39 +09:00
Atsushi Togo 8568191817
Merge pull request #412 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-07-15 08:16:39 +09:00
pre-commit-ci[bot] 6a1239408a
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.2 → v0.12.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.2...v0.12.3)
 2025-07-14 20:49:53 +00:00
Atsushi Togo fdc6aece55
Merge pull request #411 from phonopy/symmetrize-api 
Update Phono3py.symmetrize_fc3
 2025-07-08 19:22:07 +09:00
Atsushi Togo 7effdf6c26 Update test 2025-07-08 18:32:23 +09:00
Atsushi Togo cfcd64fb9f Add test for Phono3py.symmetrize_fc3 and symmetrize_fc2 2025-07-08 18:12:43 +09:00
Atsushi Togo 8488ed0424 Update Phono3py.symmetrize_fc3 2025-07-08 16:08:41 +09:00
Atsushi Togo c4c6d14ca2
Merge pull request #410 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-07-08 11:32:25 +09:00
pre-commit-ci[bot] 9825b8c171
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.1 → v0.12.2](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.1...v0.12.2)
 2025-07-07 21:31:08 +00:00
Atsushi Togo 7e6e2ce628 Merge branch 'develop' 2025-07-05 10:46:58 +09:00
Atsushi Togo 47482e4116
Merge pull request #409 from phonopy/release 
Set version 3.17.1
 2025-07-05 10:45:15 +09:00
Atsushi Togo 9951f5bfaf Set version 3.17.1 2025-07-05 10:34:26 +09:00
Atsushi Togo 48105c5f52
Merge pull request #408 from phonopy/fix-407 
Fix issue 407
 2025-07-04 16:01:15 +09:00
Atsushi Togo 617a6e9162 Fix issue 407 2025-07-04 15:52:21 +09:00
Atsushi Togo 8eeb09d934
Merge pull request #406 from phonopy/pre-commit-ci-update-config 
[pre-commit.ci] pre-commit autoupdate
 2025-07-01 10:57:37 +09:00
pre-commit-ci[bot] b4fa5458d5
[pre-commit.ci] pre-commit autoupdate 
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.11.13 → v0.12.1](https://github.com/astral-sh/ruff-pre-commit/compare/v0.11.13...v0.12.1)
 2025-06-30 20:38:25 +00:00
Atsushi Togo d41603560d
Merge pull request #405 from phonopy/symmetrize-fc-methods 
Add symmetrize_fc2 and symmetrize_fc3 in Phono3py class
 2025-06-29 16:06:34 +09:00
Atsushi Togo 260e4a5e75 Add symmetrize_fc2 and symmetrize_fc3 in Phono3py class 2025-06-29 15:56:55 +09:00
Atsushi Togo 93a5e0ed3c Minor update of typehint 2025-06-27 16:12:18 +09:00
Atsushi Togo ad9cdcc64b Merge branch 'develop' 2025-06-26 19:25:00 +09:00